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Dehydroretinyl Acetate

Dehydroretinyl Acetate structure

CAS No:
20008-04-2
Formula:
C22H30O2
Chemical Name:
Dehydroretinyl Acetate
Synonyms:
3,4-DDRA;3,4-didehydroretinyl acetate;3-Dehydro Retinol Acetate;3,4-Didehydroretinol Acetate;UNII-602I50FX07;602I50FX07;Retinol, 3,4-didehydro-, acetate;ZINC33955135;[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] acetate
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Dehydroretinyl Acetate Basic Attributes

Molecular Weight：

326.4724

Exact Mass：

326.225

UNII：

602I50FX07

Characteristics

PSA：

26.3

XLogP3：

Density：

0.982g/cm3

Boiling Point：

444.2ºC at 760 mmHg

Flash Point：

130ºC

Refractive Index：

1.542

Vapor Pressure：

4.37E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

3,4-DDRA

Dehydroretinyl Acetate Use and Manufacturing

3-Dehydro Retinol Acetate is the acetate ester of 3-Dehydroretinol (D230100) used as index of Vitamin A status.

Computed Properties

Molecular Weight:326.5
XLogP3:6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:326.224580195
Monoisotopic Mass:326.224580195
Topological Polar Surface Area:26.3
Heavy Atom Count:24
Complexity:635
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Dehydro Retinol Acetate-a

CAS No.: 20008-04-2

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